[3-(dimethylamino)-3-oxopropyl] 2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxylate

C15H22N2O3S — CID 71988153

IUPAC[3-(dimethylamino)-3-oxopropyl] 2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(C2CCCC2)sc1C(=O)OCCC(=O)N(C)C
InChIInChI=1S/C15H22N2O3S/c1-10-13(15(19)20-9-8-12(18)17(2)3)21-14(16-10)11-6-4-5-7-11/h11H,4-9H2,1-3H3
InChIKeyXUAOLOAVKCSQKZ-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.74
Rot. Bonds5

About [3-(dimethylamino)-3-oxopropyl] 2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxylate

[3-(dimethylamino)-3-oxopropyl] 2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 71988153) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is [3-(dimethylamino)-3-oxopropyl] 2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name[3-(dimethylamino)-3-oxopropyl] 2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID71988153
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name[3-(dimethylamino)-3-oxopropyl] 2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(C2CCCC2)sc1C(=O)OCCC(=O)N(C)C
InChIInChI=1S/C15H22N2O3S/c1-10-13(15(19)20-9-8-12(18)17(2)3)21-14(16-10)11-6-4-5-7-11/h11H,4-9H2,1-3H3
InChIKeyXUAOLOAVKCSQKZ-UHFFFAOYSA-N
XLogP2.74
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-3-oxopropyl] 2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of [3-(dimethylamino)-3-oxopropyl] 2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxylate (CID 71988153) is [3-(dimethylamino)-3-oxopropyl] 2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for [3-(dimethylamino)-3-oxopropyl] 2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for [3-(dimethylamino)-3-oxopropyl] 2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxylate is Cc1nc(C2CCCC2)sc1C(=O)OCCC(=O)N(C)C.
What is the InChIKey of [3-(dimethylamino)-3-oxopropyl] 2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is XUAOLOAVKCSQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-10-13(15(19)20-9-8-12(18)17(2)3)21-14(16-10)11-6-4-5-7-11/h11H,4-9H2,1-3H3.
What are the key properties of [3-(dimethylamino)-3-oxopropyl] 2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxylate?
[3-(dimethylamino)-3-oxopropyl] 2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 310.42 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-3-oxopropyl] 2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 71988153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).